ChemSpider 2D Image | N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannose | C22H38N2O16

N-acetyl-β-D-galactosaminyl-(1->3)-N-acetyl-β-D-glucosaminyl-(1->4)-α-D-mannose

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID29368541

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-α-D-mannopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-α-D-mannopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-α-D-mannopyranose [French] [ACD/IUPAC Name]
N-acetyl-β-D-galactosaminyl-(1->3)-N-acetyl-β-D-glucosaminyl-(1->4)-α-D-mannose
α-D-Mannopyranose, O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)- [ACD/Index Name]
missing
β-D-GalNAc-(1->3)-β-D-GlcNAc-(1->;4)-α-D-Man
β-D-GalpNAc-(1->3)-β-D-GlcpNAc-(1->4)-α-D-Manp
  • Miscellaneous

    • Chemical Class:

      A linear amino trisaccharide consisting of a chain of <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</s tereo>-galactosamine and <stereo>alpha</stereo>-<stereo>D</stereo>-mannose residues linked sequentially (1<arrow>right</arrow>3) and (1<arrow>right</arrow>4). ChEBI CHEBI:75397
      A linear amino trisaccharide consisting of a chain of N-acetyl-beta-D-glucosamine, N-acetyl-beta-D-galactosamine and alpha-D-mannose residues linked sequentially (1->3) and (1->4). ChEBI CHEBI:75397
      A linear amino trisaccharide consisting of a chain of N-acetyl-beta-D-glucosamine, N-acetyl-beta-D-galactosamine and alpha-D-mannose residues linked sequentially (1right3) and (1right4). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75397

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 1027.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.1±6.0 kJ/mol
Flash Point: 575.3±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.96
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 94.9±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

Click to predict properties on the Chemicalize site


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